The specific objective of the proposed research is to delineate the molecular mechanism of action and side effects of psychopharmacological agents from the quantum and topological properties of the molecule. We shall seek a common structural and electronic denominator for the action of psychopharmacological agents as compared to biogenic amines and as reflected in the relationships among compounds with similar pharmacological effects. This insight will then be used to design new and more effective drugs based on sound theoretical grounds. Among the specific kinds of molecules whose quantum electronic structure will be computed are phenothiazines and biogenic amines to validate the hypothesis that a portion of these skeletons resemble dopamine and thus blocks its receptor site, to put the structure-activity postulates of Janssen on theoretical grounds and to explain the regularity of the observed side effects of phenothiazines. We shall also study other potent neuroleptics such as the butyrophenones to compare their quantum electronic structures with those of the phenothiazines and the biogenic amines, anti-depressants, psychotomimetics and lithium. Quantum calculations will be performed with our various new sets of computer programs including the X alpha-CMS method. We shall also calculate electrostatic potential contour maps around the drug molecules and normal neurotransmitters.